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CHEBI:47249 - 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea

Default Structure
ChEBI IDCHEBI:47249
ChEBI Name1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea
Stars
ASCII Name1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea
DefinitionA member of the class of phenylureas that is urea which is substituted at position 1 by a 3-tert-butyl-1-methylpyrazol-5-yl group and at position 3 by a p-chlorophenyl group.
Last Modified26 November 2016
DownloadsMolfile
FormulaC15H19ClN4O
Net Charge0
Average Mass306.797
Monoisotopic Mass306.12474
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN4O/c1-15(2,3)12-9-13(20(4)19-12)18-14(21)17-11-7-5-10(16)6-8-11/h5-9H,1-4H3,(H2,17,18,21)
InChIKeyFWIJKWMXNHRSRO-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of mitogen-activated protein kinase (EC 2.7.11.24).
ChEBI Ontology
Outgoing Relation(s)
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea (CHEBI:47249) has role EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor (CHEBI:79091)
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea (CHEBI:47249) is a monochlorobenzenes (CHEBI:83403)
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea (CHEBI:47249) is a phenylureas (CHEBI:134043)
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea (CHEBI:47249) is a pyrazoles (CHEBI:26410)
IUPAC Name 
1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-(4-chlorophenyl)urea
Synonym  Source
1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREAPDBeChem
Manual XrefsDatabases
BMUPDBeChem
DB02277DrugBank
Registry NumbersSources
Reaxys:9135759Reaxys
Citations